1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride

C15H21BrClFN2 — CID 171168952

IUPAC1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
SMILESCl.Fc1cc([C@@H](CC2CC2)N2CCNCC2)ccc1Br
InChIInChI=1S/C15H20BrFN2.ClH/c16-13-4-3-12(10-14(13)17)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m1./s1
InChIKeyVTEWXLFJERRHKR-XFULWGLBSA-N
MW363.70 g/mol
LogP3.76
Rot. Bonds4

About 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride

1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride (PubChem CID 171168952) has the molecular formula C15H21BrClFN2 and a molecular weight of 363.70 g/mol. Its IUPAC name is 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
PubChem CID171168952
Molecular FormulaC15H21BrClFN2
Molecular Weight363.70 g/mol
Exact Mass362.06
IUPAC Name1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
SMILESCl.Fc1cc([C@@H](CC2CC2)N2CCNCC2)ccc1Br
InChIInChI=1S/C15H20BrFN2.ClH/c16-13-4-3-12(10-14(13)17)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m1./s1
InChIKeyVTEWXLFJERRHKR-XFULWGLBSA-N
XLogP3.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.70
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(3-bromo-4-fluorophenyl)-2-cyclopropylethyl]piperazine;dihydrochloride
CID 171287262
1-[(1S)-1-(4-bromo-3-fluorophenyl)propyl]piperazine;dihydrochloride
CID 171275228
1-[(1S)-2-cyclopropyl-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171273249
1-[(1R)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride
CID 171168859
1-[(1S)-1-(4-bromo-3-fluorophenyl)-3-fluoropropyl]piperazine;hydrochloride
CID 171163574
1-[(1R)-1-(4-bromo-3-fluorophenyl)propyl]piperazine
CID 171168921
1-[(1S)-1-(3-chloro-4-fluorophenyl)-2-cyclopropylethyl]piperazine
CID 171163456
1-[(1R)-2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine
CID 171168840
1-[(1R)-1-(4-bromo-3-fluorophenyl)pent-4-enyl]piperazine;dihydrochloride
CID 171287878
5-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-2-fluorobenzonitrile;dihydrochloride
CID 171281020
1-[(1R)-1-(4-bromo-3-fluorophenyl)butyl]piperazine
CID 171168943
1-[(1S)-1-(4-bromo-3-fluorophenyl)pentyl]piperazine;dihydrochloride
CID 171308863

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride (CID 171168952) is 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride is Cl.Fc1cc([C@@H](CC2CC2)N2CCNCC2)ccc1Br.
What is the InChIKey of 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
The InChIKey is VTEWXLFJERRHKR-XFULWGLBSA-N. The full InChI is InChI=1S/C15H20BrFN2.ClH/c16-13-4-3-12(10-14(13)17)15(9-11-1-2-11)19-7-5-18-6-8-19;/h3-4,10-11,15,18H,1-2,5-9H2;1H/t15-;/m1./s1.
What are the key properties of 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride?
1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride has a molecular weight of 363.70 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-bromo-3-fluorophenyl)-2-cyclopropylethyl]piperazine;hydrochloride is sourced from PubChem (CID 171168952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).